lithium 2-methyl-2-phenyl-1,3-dioxolane

C10H11LiO2 — CID 15629141

IUPAClithium 2-methyl-2-phenyl-1,3-dioxolane
SMILESCC1(c2cc[c-]cc2)OCCO1.[Li+]
InChIInChI=1S/C10H11O2.Li/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;/h3-6H,7-8H2,1H3;/q-1;+1
InChIKeyXAQFDQACVZBOSR-UHFFFAOYSA-N
MW170.14 g/mol
LogP-1.29
Rot. Bonds1

About lithium 2-methyl-2-phenyl-1,3-dioxolane

lithium 2-methyl-2-phenyl-1,3-dioxolane (PubChem CID 15629141) has the molecular formula C10H11LiO2 and a molecular weight of 170.14 g/mol. Its IUPAC name is lithium 2-methyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Namelithium 2-methyl-2-phenyl-1,3-dioxolane
PubChem CID15629141
Molecular FormulaC10H11LiO2
Molecular Weight170.14 g/mol
Exact Mass170.09
IUPAC Namelithium 2-methyl-2-phenyl-1,3-dioxolane
SMILESCC1(c2cc[c-]cc2)OCCO1.[Li+]
InChIInChI=1S/C10H11O2.Li/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;/h3-6H,7-8H2,1H3;/q-1;+1
InChIKeyXAQFDQACVZBOSR-UHFFFAOYSA-N
XLogP-1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methyl-2-phenyl-1,3-dioxolane?
The IUPAC name of lithium 2-methyl-2-phenyl-1,3-dioxolane (CID 15629141) is lithium 2-methyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for lithium 2-methyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for lithium 2-methyl-2-phenyl-1,3-dioxolane is CC1(c2cc[c-]cc2)OCCO1.[Li+].
What is the InChIKey of lithium 2-methyl-2-phenyl-1,3-dioxolane?
The InChIKey is XAQFDQACVZBOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.Li/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;/h3-6H,7-8H2,1H3;/q-1;+1.
What are the key properties of lithium 2-methyl-2-phenyl-1,3-dioxolane?
lithium 2-methyl-2-phenyl-1,3-dioxolane has a molecular weight of 170.14 g/mol, XLogP of -1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 15629141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).